A Molecular Networking Strategy: High-Throughput Screening and Chemical Analysis of Brazilian Cerrado Plant Extracts against Cancer Cells
Patrícia C. Cortelo,
Daniel P. Demarque,
Renata G. Dusi,
Lorena C. Albernaz,
Raimundo Braz-Filho,
Ekaterina I. Goncharova,
Heidi R. Bokesch,
Kirk R. Gustafson,
John A. Beutler,
Laila S. Espindola
Affiliations
Patrícia C. Cortelo
Laboratório de Farmacognosia, Universidade de Brasília, Campus Universitário Darcy Ribeiro, Brasília 70910-900, Brazil
Daniel P. Demarque
Laboratório de Farmacognosia, Universidade de Brasília, Campus Universitário Darcy Ribeiro, Brasília 70910-900, Brazil
Renata G. Dusi
Laboratório de Farmacognosia, Universidade de Brasília, Campus Universitário Darcy Ribeiro, Brasília 70910-900, Brazil
Lorena C. Albernaz
Laboratório de Farmacognosia, Universidade de Brasília, Campus Universitário Darcy Ribeiro, Brasília 70910-900, Brazil
Raimundo Braz-Filho
FAPERJ/Departamento de Química, Universidade Federal Rural do Rio de Janeiro, Seropédica, 23897-035 RJ, Brazil and Laboratório de Ciências Químicas, Universidade Estadual do Norte Fluminense, Campos dos Goytacazes, 28013-600 RJ, Brazil
Ekaterina I. Goncharova
Molecular Targets Program, National Cancer Institute, Frederick, MD 21702, USA
Heidi R. Bokesch
Molecular Targets Program, National Cancer Institute, Frederick, MD 21702, USA
Kirk R. Gustafson
Molecular Targets Program, National Cancer Institute, Frederick, MD 21702, USA
John A. Beutler
Molecular Targets Program, National Cancer Institute, Frederick, MD 21702, USA
Laila S. Espindola
Laboratório de Farmacognosia, Universidade de Brasília, Campus Universitário Darcy Ribeiro, Brasília 70910-900, Brazil
Plants have historically been a rich source of successful anticancer drugs and chemotherapeutic agents, with research indicating that this trend will continue. In this contribution, we performed high-throughput cytotoxicity screening of 702 extracts from 95 plant species, representing 40 families of the Brazilian Cerrado biome. Activity was investigated against the following cancer cell lines: colon (Colo205 and Km12), renal (A498 and U031), liver (HEP3B and SKHEP), and osteosarcoma (MG63 and MG63.3). Dose-response tests were conducted with 44 of the most active extracts, with 22 demonstrating IC50 values ranging from Salacia crassifolia, Salacia elliptica, Simarouba versicolor, Diospyros hispida, Schinus terebinthifolia, Casearia sylvestris var. lingua, Magonia pubescens, and Rapanea guianensis. Molecular networking resulted in the annotation of 27 compounds. This strategy provided an initial overview of a complex and diverse natural product data set, yielded a large amount of chemical information, identified patterns and known compounds, and assisted in defining priorities for further studies.
